(2R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-2-cyclopropyl-2-pyrrolidin-1-ylacetamide

C18H25BrN2O2 — CID 100701848

IUPAC(2R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-2-cyclopropyl-2-pyrrolidin-1-ylacetamide
SMILESC[C@@](O)(CNC(=O)[C@@H](C1CC1)N1CCCC1)c1ccccc1Br
InChIInChI=1S/C18H25BrN2O2/c1-18(23,14-6-2-3-7-15(14)19)12-20-17(22)16(13-8-9-13)21-10-4-5-11-21/h2-3,6-7,13,16,23H,4-5,8-12H2,1H3,(H,20,22)/t16-,18-/m1/s1
InChIKeyYIUUSSPKVBATOI-SJLPKXTDSA-N
MW381.31 g/mol
LogP2.65
Rot. Bonds6

About (2R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-2-cyclopropyl-2-pyrrolidin-1-ylacetamide

(2R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-2-cyclopropyl-2-pyrrolidin-1-ylacetamide (PubChem CID 100701848) has the molecular formula C18H25BrN2O2 and a molecular weight of 381.31 g/mol. Its IUPAC name is (2R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-2-cyclopropyl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-2-cyclopropyl-2-pyrrolidin-1-ylacetamide
PubChem CID100701848
Molecular FormulaC18H25BrN2O2
Molecular Weight381.31 g/mol
Exact Mass380.11
IUPAC Name(2R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-2-cyclopropyl-2-pyrrolidin-1-ylacetamide
SMILESC[C@@](O)(CNC(=O)[C@@H](C1CC1)N1CCCC1)c1ccccc1Br
InChIInChI=1S/C18H25BrN2O2/c1-18(23,14-6-2-3-7-15(14)19)12-20-17(22)16(13-8-9-13)21-10-4-5-11-21/h2-3,6-7,13,16,23H,4-5,8-12H2,1H3,(H,20,22)/t16-,18-/m1/s1
InChIKeyYIUUSSPKVBATOI-SJLPKXTDSA-N
XLogP2.65
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-3,4-dimethylpentanamide
CID 100701953
2-cyclopropyl-N-[(1-phenylimidazol-2-yl)methyl]-2-pyrrolidin-1-ylacetamide
CID 167911923
(2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 93209356
2-(2-bromophenyl)-1-(ethylamino)propan-2-ol
CID 62773972
N-[2-(2-bromophenyl)propan-2-yl]-1-methylpiperidine-4-carboxamide
CID 122156038
3-[[2-(2-bromophenyl)-2-methylpropyl]amino]-2-methyl-3-oxopropanoic acid
CID 115164425
methyl 3-(2-bromophenyl)-3-hydroxybutanoate
CID 171366058
(2S)-N-(5-bromo-4-oxo-1H-pyridin-3-yl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide
CID 164639564
(2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 93210620
2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 46024721
2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-pyrrolidin-1-ylacetamide
CID 86791246
2-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-pyrrolidin-1-ylacetamide
CID 86791128

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-2-cyclopropyl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of (2R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-2-cyclopropyl-2-pyrrolidin-1-ylacetamide (CID 100701848) is (2R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-2-cyclopropyl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for (2R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-2-cyclopropyl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for (2R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-2-cyclopropyl-2-pyrrolidin-1-ylacetamide is C[C@@](O)(CNC(=O)[C@@H](C1CC1)N1CCCC1)c1ccccc1Br.
What is the InChIKey of (2R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-2-cyclopropyl-2-pyrrolidin-1-ylacetamide?
The InChIKey is YIUUSSPKVBATOI-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H25BrN2O2/c1-18(23,14-6-2-3-7-15(14)19)12-20-17(22)16(13-8-9-13)21-10-4-5-11-21/h2-3,6-7,13,16,23H,4-5,8-12H2,1H3,(H,20,22)/t16-,18-/m1/s1.
What are the key properties of (2R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-2-cyclopropyl-2-pyrrolidin-1-ylacetamide?
(2R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-2-cyclopropyl-2-pyrrolidin-1-ylacetamide has a molecular weight of 381.31 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-2-cyclopropyl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 100701848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).